6-[(4-fluoranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[(4-fluoranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[(4-fluoro-6-morpholino-1,3,5-triazin-2-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[4-fluoro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[(4-fluoro-6-morpholino-s-triazin-2-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C17H16FN5O5S MolecularWeight: 421.402843

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)F)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)O

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)F)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)O

InChI

InChI=1S/C17H16FN5O5S/c18-15-20-16(22-17(21-15)23-3-5-28-6-4-23)19-11-2-1-10-7-12(29(25,26)27)9-14(24)13(10)8-11/h1-2,7-9,24H,3-6H2,(H,25,26,27)(H,19,20,21,22)